NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 G 4.0321 8.2127 108.0253 46.2208 0.0000 172.3893 11 Q 4.9086 8.5631 125.3347 53.9487 32.3649 171.4480 12 I 4.5195 9.1486 126.6683 59.1130 41.3753 173.4003 13 R 5.0786 8.3275 128.4510 54.3727 32.3380 175.0968 14 I 3.9970 8.5864 127.9722 61.7356 37.7753 177.1586 15 I 3.7472 9.2483 128.8621 63.1932 37.4590 175.7332 16 G 4.0867 8.4894 106.2813 44.1905 0.0000 172.3527 17 G 3.6619 8.3914 105.4899 44.6336 0.0000 174.0923 18 Q 3.9064 7.7030 116.6334 58.2104 28.8273 177.2194 19 W 4.8672 7.9119 117.9870 56.0116 29.4447 175.2226 20 R 3.9797 7.4308 118.6763 58.4040 29.5644 176.9644 21 G 4.0209 9.1979 113.6951 45.4062 0.0000 173.8781 22 R 4.1980 7.8861 119.6798 56.0078 31.3653 175.6649 23 K 5.0217 8.5541 121.8884 54.5774 34.7620 175.4277 24 L 4.8874 8.9757 124.8998 51.9588 44.9921 174.3808 25 P 4.8893 0.0000 0.0000 63.0213 32.2072 175.7116 26 V 4.6104 7.9745 114.0238 58.8506 35.6325 173.8089 27 P 4.4537 0.0000 0.0000 62.5096 32.1817 177.1036 28 D 4.6279 8.2630 120.7508 53.1359 39.4805 174.8926 29 S 4.7147 7.7357 116.7356 55.6397 65.4166 172.2579 30 P 4.5070 0.0000 0.0000 61.5739 31.9017 175.6146 *36 T 4.1308 8.0547 113.5030 61.0847 71.1370 174.1330 37 D 4.3487 8.4615 121.1232 57.6554 40.7223 179.5005 38 R 3.8235 7.8053 115.9559 59.0953 29.5035 178.6038 39 V 3.1680 7.4243 118.5437 65.7534 31.4200 177.9472 40 R 3.9029 7.7214 117.2527 59.3603 29.9252 178.5891 41 E 3.8874 8.6221 118.9978 59.5769 29.6260 178.7965 42 T 3.4501 7.7093 115.6917 66.4013 68.4883 176.0574 43 L 3.1909 7.3091 121.9675 58.1895 41.9000 179.1363 44 F 4.0960 8.1423 116.9048 59.6523 38.5666 177.6253 45 N 4.4017 8.0516 116.2454 56.2690 38.4814 176.9105 46 W 4.5722 7.9369 118.8011 59.5871 29.4515 177.8288 47 L 4.3882 8.1775 116.8777 55.0681 41.1800 178.3828 48 A 4.0973 7.6185 122.8465 54.8807 18.2505 177.0971 49 P 4.5317 0.0000 0.0000 64.2031 31.6953 176.9129 50 V 4.3912 7.9364 111.0292 61.0319 33.5356 176.5323 51 I 3.8967 7.8267 120.7569 63.5739 38.2217 176.1262 52 V 4.0680 7.7163 120.0421 64.1266 31.6605 174.9998 53 D 4.5021 9.1311 125.6138 54.9910 39.0649 173.7225 54 A 4.4242 7.8589 121.5710 51.8910 20.1395 177.3944 55 Q 4.8877 8.8890 120.0436 54.9723 30.4107 174.5973 56 C 5.2150 9.0891 122.4840 57.7633 31.4532 172.8367 57 L 4.9619 8.6148 124.5288 53.2968 44.6097 174.3822 58 D 5.3147 9.0858 127.1643 52.9941 42.2048 176.5601 59 C 3.8098 8.9725 125.0711 61.6838 28.7166 174.8131 60 F 4.7593 7.7831 115.5405 55.7909 39.5078 174.1983 61 A 4.5619 8.8345 126.8583 52.3849 19.9830 179.7553 62 G 4.1831 8.1417 104.8842 47.4487 0.0000 174.9372 63 S 4.2850 8.7873 120.1956 58.7248 62.9006 174.5312 64 G 3.8326 8.8573 109.7891 45.8812 0.0000 175.2806 65 A 3.9236 8.2721 122.9799 55.2413 18.0469 180.6055 66 L 3.9069 7.7472 116.5323 57.6897 41.8710 179.7198 67 G 3.6799 7.8489 105.0643 47.9503 0.0000 175.5140 68 L 4.1508 8.4667 122.4432 57.2900 41.7242 179.3311 69 E 3.6147 7.9974 118.8861 58.9741 29.5221 178.4208 70 A 4.0813 7.9854 121.2064 55.5454 18.5913 179.6931 71 L 3.8954 8.0566 117.1832 57.8474 41.6921 179.6244 72 S 2.7900 7.8578 113.0930 60.5763 61.9396 175.2953 73 R 4.3493 7.0889 118.1528 56.0275 30.5494 175.9207 74 Y 3.4225 6.9895 114.0518 58.6631 35.6531 169.3268 75 A 4.6004 7.7818 120.5022 52.5484 18.5267 178.9063 76 A 4.1305 9.0875 122.9286 54.9252 19.1666 178.2000 77 G 4.6727 7.8224 98.8999 45.4587 0.0000 172.7971 78 A 5.2975 8.0668 122.0956 50.7867 22.8678 175.0984 79 T 4.8362 9.1007 120.3616 62.2276 70.6804 173.8459 80 L 5.0387 8.8298 126.7734 52.9069 44.7901 175.3945 81 I 4.5869 8.4256 124.9212 59.5929 39.9566 174.6589 82 E 4.3780 8.5105 127.0171 55.0712 33.7929 172.5619 *84 D 4.5316 8.5472 117.6798 54.0258 42.1328 176.4645 85 R 3.8635 8.6446 126.4872 59.4085 30.2502 178.2017 86 A 3.9631 8.0083 120.1928 55.0504 18.4818 179.6260 87 V 3.5185 8.3652 117.2431 66.2188 31.6674 178.4982 88 S 4.1372 8.2997 114.1834 61.4437 62.8946 176.4326 89 Q 3.9628 8.2739 121.8082 58.8570 28.4281 178.5282 90 Q 3.9717 8.0713 120.4658 58.7383 28.9402 177.9638 91 L 3.8865 8.0319 121.6665 58.0961 42.1716 178.7702 92 I 3.6575 7.7857 119.7551 64.5318 36.9866 178.5694 93 K 3.9557 7.9475 118.8959 59.5108 31.9047 179.1780 94 N 4.1977 8.4936 117.1761 56.1983 38.4384 177.3729 95 L 3.8010 8.1754 120.4540 57.6774 41.7078 179.3457 96 A 3.9581 7.9886 120.5512 55.6162 18.0881 179.8139 97 T 3.7471 7.7565 113.0771 66.6311 68.6113 176.3675 98 L 3.6859 7.5717 118.4925 54.4503 41.6983 177.2205 99 K 3.6876 7.5152 116.9192 57.2102 29.8779 175.8921 100 A 4.5270 7.9201 123.3696 51.2173 17.8160 178.5461 101 G 3.8470 8.6240 111.8752 48.5044 0.0000 172.0719 102 N 4.9740 8.0202 117.7971 52.6788 37.6914 174.5692 103 A 5.3376 7.8432 118.6011 51.9977 22.7907 176.5505 104 R 4.7351 8.9035 114.9285 54.4276 33.5439 174.1437 105 V 4.6827 8.3699 119.8012 61.1426 34.1717 174.5409 106 V 4.1382 8.6959 128.3120 61.2075 33.4877 174.2929 107 N 5.7206 8.7376 127.5665 52.2531 37.7119 173.4217 108 S 4.8237 7.9088 117.3518 56.0202 66.1663 173.0434 109 N 4.5123 8.7949 121.5525 52.6386 37.9409 176.2714 110 A 4.2111 8.1321 120.8072 52.6671 18.1664 180.0317 *112 S 4.4258 8.2422 117.4732 60.2749 64.9681 176.4614 113 F 4.1953 8.0569 120.6020 61.2067 39.1075 176.2740 114 L 3.6906 8.1286 118.4430 56.3273 42.1601 177.5012 115 A 4.4706 7.2156 123.5948 49.5413 17.0840 175.5970 116 Q 4.4731 7.3693 118.4025 53.9123 31.5359 174.5910 117 K 3.5557 8.6312 120.3999 57.3365 32.4526 176.5272 118 G 2.0000 7.9988 116.0601 44.2778 0.0000 172.0171 119 T 4.7031 6.9570 112.9542 59.0467 70.6826 171.6334 120 P 4.8634 0.0000 0.0000 63.2681 32.2404 175.1699 121 H 5.1391 9.2157 120.0429 54.1323 32.3225 173.9455 122 N 4.7087 8.8927 117.6851 53.3888 39.2176 174.2526 123 I 4.9343 7.7714 121.0964 59.5323 40.9760 174.4913 124 V 4.6211 8.5127 126.3425 60.9193 35.2385 173.9295 125 F 5.4184 9.0499 126.0988 56.0788 41.6438 174.7883 126 V 4.9829 9.4064 124.3098 60.8606 32.5289 172.0177 127 D 5.0383 8.7315 124.3589 50.9440 41.2771 173.0144 128 P 2.9700 0.0000 0.0000 60.2070 32.4100 176.4863 129 P 4.2292 0.0000 0.0000 65.4041 31.3806 176.1269 130 F 4.8850 6.4067 108.5179 55.6081 40.9961 173.7716 131 R 4.2590 8.6121 116.8903 57.5489 30.7837 176.9850 132 R 4.2070 7.9353 117.6421 57.0415 30.5159 175.9350 133 G 4.2435 9.3824 111.1131 45.0793 0.0000 173.7368 134 L 4.5724 7.7654 116.9695 56.0520 44.4087 178.4373 135 L 3.8754 8.2577 119.9881 58.1571 42.0317 178.5499 136 E 3.8287 8.0427 118.6870 59.2549 29.5664 178.3638 137 E 3.9445 8.1098 118.0359 59.7192 29.5173 179.2233 138 T 3.8859 8.0390 115.6099 66.7695 68.5708 176.4443 139 I 3.7382 7.7445 121.4876 64.6836 37.0569 178.2431 140 N 4.2445 8.1578 116.9819 56.2530 38.4868 177.5283 141 L 4.0868 8.2766 120.6816 57.6823 41.2527 179.3499 142 L 4.3079 8.3281 119.2688 58.0516 41.4565 179.2923 143 E 4.2288 8.1977 117.4478 59.7008 29.7865 178.3426 144 D 4.6203 8.5285 117.4789 56.0506 41.2041 176.9564 145 N 4.7391 8.1036 115.2780 52.5806 38.9483 175.3656 146 G 3.8918 8.1549 105.1077 46.4424 0.0000 174.9940 147 W 5.1866 7.7829 118.1534 56.9874 30.1632 175.8401 148 L 5.2536 7.7752 119.8033 52.3819 43.3889 176.3923 149 A 4.1543 8.7452 126.0295 51.9042 18.9668 176.9918 150 D 4.4741 8.9088 118.6671 56.8872 42.0700 176.5159 151 E 5.1059 8.1169 118.2437 54.2503 31.7292 175.1229 152 A 4.9107 8.8770 127.5392 50.3366 23.5687 174.2943 153 L 5.1034 8.8755 119.4164 52.8838 45.3406 175.7862 154 I 4.8626 8.8212 124.2783 59.5366 40.2708 174.0592 155 Y 5.1716 9.1457 129.8038 57.3246 40.2822 174.2859 156 V 4.7449 8.8060 126.1465 61.0783 35.0021 173.3343 157 E 4.9278 8.3603 129.1212 54.3214 31.2849 175.0837 158 S 4.6317 8.6517 120.2856 56.5484 66.9946 173.3651 159 E 4.4011 8.7199 121.9329 56.8639 29.0537 177.6726 160 V 3.6441 9.7751 125.5611 64.7382 31.6961 177.2469 161 E 3.9471 8.6255 118.2421 59.6691 29.3941 177.1353 162 N 4.4531 7.8280 117.9694 51.7572 39.3438 175.6710 163 G 3.8694 8.2917 109.9847 45.2150 0.0000 172.8832 164 L 4.4031 8.0734 119.1020 53.8784 41.6138 174.8800 165 P 4.3796 0.0000 0.0000 62.7894 32.0132 176.1956 166 T 4.2069 8.1426 111.3114 61.2137 69.7738 174.4852 167 V 3.8101 7.5773 115.8601 58.3257 35.1423 173.6658 168 P 4.2346 0.0000 0.0000 62.2665 31.7444 177.5436 169 A 4.0842 8.3945 122.1425 54.8868 18.6052 178.1845 170 N 4.8445 8.3041 111.8859 52.8084 37.8831 173.9113 171 W 5.5722 8.0694 118.9583 55.5438 31.1032 175.6960 172 S 4.9664 9.4718 117.8669 56.2159 66.5764 173.0111 173 L 3.8970 8.7995 123.9352 56.1842 41.6100 175.6864 174 H 4.6900 9.2470 126.5548 57.5682 31.5751 175.0478 175 R 4.3011 7.2365 114.7093 54.7309 34.4870 173.9191 176 E 5.2455 8.0603 121.8817 54.8412 33.0653 173.9435 177 K 4.8138 9.7939 127.5906 54.6713 35.7273 174.6273 178 V 4.9301 8.7602 126.7627 61.2373 33.3386 174.6794 179 A 4.6773 8.8862 131.3328 51.0743 21.7897 175.4328 180 G 3.8637 8.4140 113.3619 47.9603 0.0000 173.6542 181 Q 4.4991 8.6672 123.3834 55.2671 28.9340 174.0524 182 V 4.4527 7.6601 118.3788 60.9449 34.4008 174.0606 183 A 4.9975 9.1725 130.3344 50.8911 20.8121 175.2006 184 Y 4.8475 9.5282 121.4533 56.5163 40.1219 175.3149 185 R 5.2037 9.0973 123.1589 54.1862 34.7601 174.1604 186 L 5.3074 8.5653 123.8583 53.6222 45.0101 174.5281 187 Y 5.0851 9.2828 124.0153 56.3603 40.8340 174.3948 188 Q 4.7829 9.2020 125.3281 54.9024 31.1980 174.1879 189 R 5.0154 8.8734 126.2550 54.4701 33.2886 173.8130 190 E 5.2805 8.7143 124.3811 54.0417 32.6286 175.8413 191 A 4.1449 8.9252 126.3050 52.2637 19.3728 177.7206 192 Q 4.1359 8.5609 118.5224 56.2048 29.0070 176.0657 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 10 G 8.21 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 8.56 4.91 0.00 2.08 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.65 0.00 0.00 0.00 0.00 0.00 2.22 2.39 0.00 12 I 9.15 4.52 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.80 0.91 0.00 0.00 13 R 8.33 5.08 0.00 1.79 1.74 0.00 3.27 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.77 0.00 14 I 8.59 4.00 2.01 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.24 1.02 0.00 0.00 15 I 9.25 3.75 1.92 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.43 0.87 0.00 0.00 16 G 8.49 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.39 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 7.70 3.91 0.00 1.84 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 7.23 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 19 W 7.91 4.87 0.00 3.38 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 R 7.43 3.98 0.00 1.71 1.94 0.00 3.35 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 21 G 9.20 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 R 7.89 4.20 0.00 1.92 1.79 0.00 3.12 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 23 K 8.55 5.02 0.00 1.57 1.66 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.56 7.81 24 L 8.98 4.89 0.00 1.42 1.59 0.76 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.89 0.00 2.04 2.01 0.00 3.83 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.95 0.00 26 V 7.97 4.61 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.95 0.00 0.00 27 P 0.00 4.45 0.00 2.03 1.97 0.00 3.66 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 28 D 8.26 4.63 0.00 2.63 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 7.74 4.71 0.00 3.88 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.51 0.00 2.18 2.08 0.00 3.81 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.94 0.00 *36 T 8.05 4.13 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 37 D 8.46 4.35 0.00 2.75 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 R 7.81 3.82 0.00 1.93 2.12 0.00 2.93 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 39 V 7.42 3.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.77 0.00 0.00 40 R 7.72 3.90 0.00 2.15 1.98 0.00 3.09 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 41 E 8.62 3.89 0.00 2.02 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 42 T 7.71 3.45 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 43 L 7.31 3.19 0.00 1.03 1.24 0.70 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 44 F 8.14 4.10 0.00 3.21 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 N 8.05 4.40 0.00 2.85 2.95 0.00 0.00 7.00 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 W 7.94 4.57 0.00 3.45 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 L 8.18 4.39 0.00 1.67 1.75 0.75 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 48 A 7.62 4.10 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.53 0.00 2.22 2.21 0.00 3.90 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 50 V 7.94 4.39 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 1.04 0.00 0.00 51 I 7.83 3.90 2.16 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.37 1.15 0.00 0.00 52 V 7.72 4.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 1.02 0.00 0.00 53 D 9.13 4.50 0.00 2.88 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.86 4.42 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 Q 8.89 4.89 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.71 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 56 C 9.09 5.21 0.00 3.09 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.61 4.96 0.00 1.23 1.29 0.80 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 58 D 9.09 5.31 0.00 3.06 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 C 8.97 3.81 0.00 2.79 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 F 7.78 4.76 0.00 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0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.00 3.61 0.00 1.92 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 70 A 7.99 4.08 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.06 3.90 0.00 2.12 1.84 1.07 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 72 S 7.86 2.79 0.00 4.02 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 R 7.09 4.35 0.00 1.95 1.95 0.00 2.87 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.43 0.00 74 Y 6.99 3.42 0.00 3.20 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 A 7.78 4.60 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 A 9.09 4.13 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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*112 S 8.24 4.43 0.00 3.98 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 F 8.06 4.20 0.00 2.92 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 L 8.13 3.69 0.00 1.60 1.58 0.75 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.22 4.47 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Q 7.37 4.47 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.85 0.00 0.00 0.00 0.00 0.00 2.44 2.35 0.00 117 K 8.63 3.56 0.00 1.68 1.64 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.65 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.20 1.31 7.81 118 G 8.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 T 6.96 4.70 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 120 P 0.00 4.86 0.00 2.09 2.01 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0.00 0.00 0.00 2.31 2.35 0.00 137 E 8.11 3.94 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 138 T 8.04 3.89 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 139 I 7.74 3.74 1.80 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.61 -0.03 0.00 0.00 140 N 8.16 4.24 0.00 2.86 2.83 0.00 0.00 7.10 6.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 L 8.28 4.09 0.00 1.86 1.81 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 142 L 8.33 4.31 0.00 2.17 2.02 1.12 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 143 E 8.20 4.23 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 144 D 8.53 4.62 0.00 2.72 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 N 8.10 4.74 0.00 3.20 2.92 0.00 0.00 6.79 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 G 8.15 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 W 7.78 5.19 0.00 3.62 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 L 7.78 5.25 0.00 1.54 1.53 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 149 A 8.75 4.15 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 D 8.91 4.47 0.00 2.60 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 E 8.12 5.11 0.00 1.88 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.28 0.00 152 A 8.88 4.91 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 L 8.88 5.10 0.00 1.45 1.51 0.88 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 154 I 8.82 4.86 1.66 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.27 1.09 0.00 0.00 155 Y 9.15 5.17 0.00 3.24 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 V 8.81 4.74 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.25 0.00 0.00 157 E 8.36 4.93 0.00 1.69 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.92 0.00 158 S 8.65 4.63 0.00 3.82 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 E 8.72 4.40 0.00 1.84 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 160 V 9.78 3.64 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.94 0.00 0.00 161 E 8.63 3.95 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 162 N 7.83 4.45 0.00 2.70 2.79 0.00 0.00 6.85 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 G 8.29 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 L 8.07 4.40 0.00 1.81 1.71 0.96 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 165 P 0.00 4.38 0.00 2.09 2.05 0.00 3.84 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.02 0.00 166 T 8.14 4.21 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 167 V 7.58 3.81 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 0.85 0.00 0.00 168 P 0.00 4.23 0.00 2.22 1.85 0.00 2.20 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.68 0.00 169 A 8.39 4.08 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 N 8.30 4.84 0.00 3.15 3.13 0.00 0.00 6.18 8.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 W 8.07 5.57 0.00 3.18 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 S 9.47 4.97 0.00 3.88 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 L 8.80 3.90 0.00 1.63 1.59 0.52 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 174 H 9.25 4.69 0.00 3.04 3.34 0.00 6.01 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 R 7.24 4.30 0.00 0.93 0.66 0.00 2.21 0.00 0.00 2.57 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.70 0.00 176 E 8.06 5.25 0.00 1.83 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.49 0.00 177 K 9.79 4.81 0.00 2.35 1.98 0.00 1.68 0.00 0.00 1.41 0.00 0.00 2.72 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.49 7.81 178 V 8.76 4.93 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.99 0.00 0.00 179 A 8.89 4.68 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 G 8.41 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 Q 8.67 4.50 0.00 2.17 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.70 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 182 V 7.66 4.45 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.91 0.00 0.00 183 A 9.17 5.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 Y 9.53 4.85 0.00 3.20 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 R 9.10 5.20 0.00 1.85 1.39 0.00 3.12 0.00 0.00 2.87 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.54 0.00 186 L 8.57 5.31 0.00 1.79 1.42 1.20 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 187 Y 9.28 5.09 0.00 2.88 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 Q 9.20 4.78 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 189 R 8.87 5.02 0.00 0.86 1.28 0.00 3.12 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.25 0.00 190 E 8.71 5.28 0.00 1.87 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.21 0.00 191 A 8.93 4.14 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 Q 8.56 4.14 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 * Residues marked with a * may have inaccurate shift predictions.